#ifndef _HBOND_H
#define _HBOND_H

/** 

    Hydrogen bond structure.

    All of the Hydrogen bonds are calculated by WHAT IF.
    ( 'Cause WHAT IF has two routines for calculating Hydrogen bonds:
    the older 'HBO'routines and the newer 'HB2'routines. the 'HBO' 
    determine potential hydrogen bonds, the 'HB2'determine the optimal 
    hydrogen bonds.)
    
    Here we only use the 'HBO' routines, and the hydrogen bond parameters are:
    donor-acceptor distance = 3.5 Angstroms
    hydrogen-acceptor distance = 2.5 Angstroms
    angular error over the hydrogen = 60 degrees
    angular error over the acceptor = 90 degrees
    
    You can set the new parameters through the WHAT IF.

    \ingroup Bond
*/


struct hbond {
 
  char  donorname[3];
  char  donornumber[4];
  //int   donornumber;
  char  donoratom[3];
  char  donorchain;
  char  acceptorname[3];
  char  acceptornumber[4];
  //int   acceptornumber;
  char  acceptoratom[3];
  char  acceptorchain;
  float vaule;
  float distance; // distance between donor and acceptor atom
  float energy;
};
  
#endif
